SCHEMBL7777776

SCHEMBL7777776

c1ccc2c(-c3cscn3)cccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.48
TDO2 P48775 2/20 0.47
KDM4E B2RXH2 3/20 0.42
METAP2 P50579 2/20 0.42
METAP1 P53582 2/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
FKBP1A P62942 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SCN9A Q15858 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16159657 0.77 SCN9A (0.43) IDO1TDO2HDAC6SCN9A
SCHEMBL4515967 0.77 CYP19A1 (0.47) IDO1TDO2KDM4EMETAP2METAP1
SCHEMBL14754362 0.76 IDO1 (0.46) IDO1TDO2KDM4EMETAP2METAP1
SCHEMBL31525824 0.76 KDM4A (0.52) KDM4EMETAP1NPC1RAB9ATDP1
SCHEMBL16159765 0.75 SCN9A (0.39) IDO1TDO2KDM4ENPC1TP53
SCHEMBL6651977 0.75 KDM4A (0.46) IDO1TDO2KDM4EMETAP2METAP1
SCHEMBL4518539 0.75 LMNA (0.53) IDO1TDO2KDM4EMETAP2METAP1
SCHEMBL14198210 0.73 ALDH1A1 (0.51) KDM4ENPC1TP53SMN1; SMN2TSHR
SCHEMBL466425 0.73 IDO1 (0.46) IDO1TDO2KDM4EMETAP2METAP1
SCHEMBL10151023 0.73 MPL (0.50) IDO1TDO2KDM4EMETAP2METAP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11974988-B2 Neuroprotective compositions and methods of using the same BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2024-05-07 US disclosed
US-20230287262-A1 PHOTON UPCONVERSION COMPOSITION, FILM, METHOD FOR CONVERTING VISIBLE LIGHT INTO ULTRAVIOLET LIGHT, AND COMPOUND KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2023-09-14 US disclosed
US-20210205275-A1 NEUROPROTECTIVE COMPOSITIONS AND METHODS OF USING THE SAME THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2021-07-08 US disclosed
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP disclosed
EP-0843209-B1 Silver halide emulsion manufacturing method EASTMAN KODAK CO (US) 2001-09-05 EP disclosed
EP-0359169-A2 Photographic recording material comprising magenta coupler and a chalcogenazolium salt EASTMAN KODAK COMPANY (US) 1990-03-21 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210205275-A1 NEUROPROTECTIVE COMPOSITIONS AND METHODS OF USING THE SAME GAP43, NLN, SMN1; SMN2 IDO1 3482/4885TDO2 4342/4885KDM4E 3736/4885
US-20230287262-A1 PHOTON UPCONVERSION COMPOSITION, FILM, METHOD FOR CONVERTING VISIBLE LIGHT INTO ULTRAVIOLET LIGHT, AND COMPOUND NUDC, CCNL2, SPIN3 IDO1 1470/4885TDO2 369/4885KDM4E 1663/4885
US-11974988-B2 Neuroprotective compositions and methods of using the same GAP43, NLN, SMN1; SMN2 IDO1 3482/4885TDO2 4342/4885KDM4E 3736/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.